SCHEMBL8554887

SCHEMBL8554887

O=C(O)c1nc(-c2ccccc2)c(NS(=O)(=O)c2ccccc2)o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.54
HSD11B1 P28845 2/20 0.45
ACLY P53396 1/20 0.44
EDNRB P24530 4/20 0.43
EDNRA P25101 4/20 0.43
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTPN5 P54829 1/20 0.42
PTGS2 P35354 2/20 0.42
PTGS1 P23219 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9025484 0.92 KDM4E (0.48) NR4A2HSD11B1ACLYEDNRBEDNRA
SCHEMBL8560588 0.87 KDM4E (0.51) HSD11B1ACLYEDNRBEDNRAKDM4E
SCHEMBL8556794 0.83 KMT2A (0.52) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL8557632 0.80 NR4A2 (0.57) NR4A2HSD11B1EDNRBEDNRAKDM4E
SCHEMBL5694177 0.80 EDNRB (0.51) HSD11B1EDNRBEDNRAKDM4EMEN1
SCHEMBL8558261 0.80 HSD11B1 (0.44) NR4A2HSD11B1EDNRBEDNRAKDM4E
SCHEMBL8557447 0.78 RXRA (0.59) NR4A2KDM4EHPGDCYP2C19PTGS2
SCHEMBL8555985 0.78 NR4A2 (0.54) NR4A2HSD11B1ACLYKDM4EMEN1
SCHEMBL8561934 0.77 HDAC6 (0.48) HSD11B1EDNRBEDNRAKDM4EMEN1
SCHEMBL8555072 0.77 SLC40A1 (0.45) HSD11B1EDNRBEDNRAKDM4EMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699192-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-06 EP claimed
WO-1994027980-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1994-12-08 WO claimed
US-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed